3-(azepan-1-ylsulfonyl)-4-chloranyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27ClN4O3S/c1-27(17-19-16-26-29(18-19)21-9-5-4-6-10-21)24(30)20-11-12-22(25)23(15-20)33(31,32)28-13-7-2-3-8-14-28/h4-6,9-12,15-16,18H,2-3,7-8,13-14,17H2,1H3